[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C18H12F4N2O3 — CID 138465230

IUPAC[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)ccc1C(=O)OCc1cc(-c2ccccc2F)no1
InChIInChI=1S/C18H12F4N2O3/c1-10-12(6-7-16(23-10)18(20,21)22)17(25)26-9-11-8-15(24-27-11)13-4-2-3-5-14(13)19/h2-8H,9H2,1H3
InChIKeyUUQMHYDEPILRAW-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.56
Rot. Bonds4

About [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 138465230) has the molecular formula C18H12F4N2O3 and a molecular weight of 380.30 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID138465230
Molecular FormulaC18H12F4N2O3
Molecular Weight380.30 g/mol
Exact Mass380.08
IUPAC Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)ccc1C(=O)OCc1cc(-c2ccccc2F)no1
InChIInChI=1S/C18H12F4N2O3/c1-10-12(6-7-16(23-10)18(20,21)22)17(25)26-9-11-8-15(24-27-11)13-4-2-3-5-14(13)19/h2-8H,9H2,1H3
InChIKeyUUQMHYDEPILRAW-UHFFFAOYSA-N
XLogP4.56
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 138465230) is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is Cc1nc(C(F)(F)F)ccc1C(=O)OCc1cc(-c2ccccc2F)no1.
What is the InChIKey of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is UUQMHYDEPILRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O3/c1-10-12(6-7-16(23-10)18(20,21)22)17(25)26-9-11-8-15(24-27-11)13-4-2-3-5-14(13)19/h2-8H,9H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 380.30 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 138465230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).